2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone

C24H25N5O3 — CID 70802798

IUPAC2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H25N5O3/c1-17-25-14-23(32-17)19-8-7-18(13-22(19)31-2)27-9-11-28(12-10-27)24(30)15-29-16-26-20-5-3-4-6-21(20)29/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyHPJZNFXCFWYLLJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.36
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 70802798) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID70802798
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H25N5O3/c1-17-25-14-23(32-17)19-8-7-18(13-22(19)31-2)27-9-11-28(12-10-27)24(30)15-29-16-26-20-5-3-4-6-21(20)29/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyHPJZNFXCFWYLLJ-UHFFFAOYSA-N
XLogP3.36
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (CID 70802798) is 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is HPJZNFXCFWYLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-25-14-23(32-17)19-8-7-18(13-22(19)31-2)27-9-11-28(12-10-27)24(30)15-29-16-26-20-5-3-4-6-21(20)29/h3-8,13-14,16H,9-12,15H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).